GENERALIZED HARTREE THEORY - UPPER BOUNDS TO HARTREE-FOCK ENERGIES

被引：8
作者：
GOLDEN, S
机构：
[1] Department of Chemistry, Brandeis University, Waltham
来源：
JOURNAL OF PHYSICAL CHEMISTRY | 1979年 / 83卷 / 11期
关键词：
D O I：
10.1021/j100474a007
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A generalization of the Hartree theory is derived from a minimum principle applied to the ground-state energy of an electronic system of which a typical single-electron distribution is constrained to fulfill Fermi-Dirac statistics. The resulting generalized Hartree energy is shown to provide a rigorous upper bound to the analogous Hartree-Fock energy. © 1979 American Chemical Society.
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页码：1388 / 1390
页数：3
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